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Hartree-Fock energy levels, transition probabilities and wave functions for highly ionized atoms in B I isoelectronic sequences, including spin-orbit interactions
The intensities of L-shell Auger and Coster-Kronig transitions in heavy atoms have been calculated relativistically. A detailed comparison is made with measured Auger spectra of Pt and U. The pertinent transition energies were computed from relativistic wave functions with inclusion of the Breit interaction, self-energy, a vacuum-polarization correction, and complete atomic relaxation. Multiplet splitting is found to distribute Auger electrons from certain transitions among several lines. The analysis leads to reassignment of a number of lines in the measured spectra. Lines originally identified as L2-L3Ni in the U spectrum are shown to arise from M4,5 Auger transitions instead.
Temperatures of CaAl2Si2O8 (anorthite glass) shocked to pressures between 48 and 117 GPa were measured in the range from 2500 to 5600 K, using optical pyrometry techniques. The pressure dependence of the shock temperatures deviates significantly from predictions based on a single high pressure phase. At least three phase transitions, at pressures of about 55, 85, and 100 GPa and with transition energies of about 0.5 MJ/kg each (approximately 1.5 MJ/kg total) are required to explain the shock temperature data. The phase transition at 100 GPa can possibly be identified with the stishovite melting transition. Theoretical models of the time dependence of the thermal radiation from the shocked anorthite based on the geometry of the experiment and the absorptive properties of the shocked material yields good agreement with observations, indicating that it is not necessary to invoke intrinsic time dependences to explain the data in many cases.
Electron scattering spectra of CO2 are reported in the 7 to 10 eV energy-loss range, at energies of 0.2, 0.35, 0.6, 0.7, and 7.0 eV above threshold, and at a scattering angle of 90 deg. Several new distinct overlapping continua with weak, diffuse bands superimposed are observed to lie in this energy-loss range. The experimental spectra are discussed in the light of recent ab initio configuration-interaction calculations of the vertical transition energies of CO2. The experimental spectra are shown to be consistent with the excitation states of CO2.
Electron scattering spectra of nitrous oxide are reported in the 5- to 10-eV energy-loss range at scattering angles of 20, 30, 90, and 130 deg at a residual energy of 7.0 eV; and at residual energies of 10.0, 2.0, 1.0, 0.6, and 0.2 eV at a scattering angle of 90 deg. Several new distinct and overlapping continua are observed to lie in this energy-loss range. The experimental spectra are discussed in the light of semiempirical INDO calculations of Chutjian and Segal (1972) of the vertical transition energies of N2O. An assignment of the symmetries of the observed excitations consistent with the experimental and theoretical data is suggested.
A semiclassical model proposed by Pearson and Hansen (1974) for computing collision-induced transition probabilities in diatomic molecules is tested by the direct-simulation Monte Carlo method. Specifically, this model is described by point centers of repulsion for collision dynamics, and the resulting classical trajectories are used in conjunction with the Schroedinger equation for a rigid-rotator harmonic oscillator to compute the rotational energy transition probabilities necessary to evaluate the rotation-translation exchange phenomena. It is assumed that a single, average energy spacing exists between the initial state and possible final states for a given collision.
The high resolution, intrinsic spectra of surface photovoltage are reported for semiconducting n-type CdS single crystals. At reduced temperatures (120-160 K) the spectra exhibit three sharp maxima due to A, B and C free exciton transitions. Energy positions of these lines and valence band parameters (spin-orbit and crystal field splittings) estimated from surface photovoltage are in good agreement with values obtained by other methods. The excitonic transitions are very sensitive to surface treatment, i.e. polishing, etching, background illumination and surface doping. The mechanism of direct interaction of free excitons with surface states is proposed to explain exciton lines in surface photovoltage.
The spectroscopic constants for the triplet and singlet states of LiB below about 30 000/ cm are determined using an internally contracted multireference configuration interaction approach in conjunction with [6s 5p 3d 2f] atomic natural orbital basis sets. The ground state is (sup 3)Pi as found in previous work. No excited triplet states are found to be ideal for characterizing the ground state; the (1)(sup 3)Sigma(sup -) state has a transition energy that is too small for many experimental approaches and the (2)(sup 3)Pi and (3)(sup 3)Pi states have bond lengths that are significantly longer than the ground state, resulting in transition intensities that are spread out over many vibrational levels of the ground state.
Univac computer programs for energy levels and transition probabilities for ruby and emeralds
Some models have extremely low-mass pseudo-Goldstone bosons that can lead to vacuum phase transitions at late times, after the decoupling of the microwave background.. This can generate structure formation at redshifts z greater than or approx 10 on mass scales as large as M approx 10 to the 18th solar masses. Such low energy transitions can lead to large but phenomenologically acceptable density inhomogeneities in soft topological defects (e.g., domain walls) with minimal variations in the microwave anisotropy, as small as delta Y/T less than or approx 10 to the minus 6 power. This mechanism is independent of the existence of hot, cold, or baryonic dark matter. It is a novel alternative to both cosmic string and to inflationary quantum fluctuations as the origin of structure in the Universe.
A theoretical study of the index of refraction of superlattices and its variation as a function of frequency and the superlattice parameters, i.e., layer width and AlAs composition, is presented. Gamma-region exciton and valence-band mixing effects are included in the model. It is found that these two effects have an important influence on the value of the index of refraction and that superstructure effects rapidly decrease for energies greater than the superlattice potential barriers. Because of the quasi-two-dimensional character of the Gamma-region excitons, the results indicate that the superlattice index of refraction can vary by about two percent at the quantized, bound-exciton, transition energies. Overall, the theoretical results are in good agreement with the experimental data.
With excellent angular resolution, good energy resolution, and a broad energy band, the Chandra Advanced CCD Imaging Spectrometer (ACIS) is the best instrument for studying the X-ray halos around some Galactic X-ray point sources caused by the dust scattering of X-rays in the interstellar medium. However, the direct images of bright sources obtained with the ACIS usually suffer from severe pileup. Making use of the fact that an isotropic image could be reconstructed from its projection in to any direction, we can reconstruct the images of the X-ray halos from the data obtained with the High Energy Transition Grating Spectrometer (HETGS) and/or in continuos clocking (CC) mode. These data have no or less serious pileup and enable us to take full advantage of the excellent angular resolution of Chandra. With the reconstructed high-resolution images, we can probe the X-ray halos as close as 1" to their associated point sources. Applying this method to Cygnus X-1 observed with the Chandra HETGS in CC mode, we derived an energy-dependent radial halo flux distribution and concluded that in a circular region (2' in radius) centered a the point source: (1) relative to the total intensity, the fractional halo intensity is about 15% at keV and drops to aboout 5% at approximately 6 keV (2) about 50% of the halo photons are within the region of a radius less than 40 inches and (3) the spectrum of the pooint source is slightly distorted by the halo contamination.
We review the Best Theory + Reliable High-resolution Experiment (BTRHE) strategy for obtaining highly accurate molecular rovibrational line lists with InfraRed (IR) intensities. The need for highly accurate molecular rovibrational line lists is two-fold: a) assignment of the many rovibrational lines for common stable molecules especially those that exhibit a large amplitude motion, such as NH3, or have a high density of states such as SO2; and b) characterization of the atmospheres of exoplanets which will be one of the main areas of research in astronomy in the coming decades. The first motivation arises due to the need to eliminate lines due to common molecules in an astronomical observation in order to identify lines from new molecules, while the second motivation arises due to the need to obtain accurate molecular opacities in order to characterize the atmosphere of an exoplanet. The BTRHE strategy first consists of using high quality ab initio quantum chemical methods to obtain a global potential energy surface (PES) and dipole moment surface (DMS) that contains the proper physics. The global PES is then refined using a subset of the reliable high-resolution experimental data. The refined PES then gives energy level predictions to an accuracy similar to the reproduction accuracy of the experimental data used in the refinement step in the interpolation region (i.e., within the range of the experimental data used in the refinement step). The accuracy of the energy levels will slowly degrade as they are extrapolated to spectral regions beyond the high-resolution experimental data used in the refinement step. However, because the degradation is slow, the predicted energy levels can be used to assign new high-resolution experiments, and the data from these can then be used in a subsequent refinement step. In this way, the global PES eventually can yield highly accurate energy levels for all desired spectral regions including to very high energies and high J values. We show that IR intensities computed with the BTRHE rovibrational wavefunctions and the DMS can be very accurate provided one has minimized the fitting error of the DMS and tested the completeness of the DMS. Some examples of our work on NH3, CO2, and SO2 are given to highlight the usefulness of the BTRHE strategy and to provide ideas on how to further improve its predictive power in the future. In particular, it is shown how successive refinement steps, once new high-resolution data is available, can lead to PESs that yield highly accurate transition energies to larger spectral regions. The importance of including non-adiabatic corrections to reduce the J-dependence of errors for H-containing molecules is shown with work on NH3. Another very important aspect of the BTRHE approach is the consistency across isotopologues, which allows for highly accurate line lists for any isotopologue once one is obtained for the main isotopologue (which has more high-resolution data available for refinement).
Designed to enable human space exploration missions, including eventually landings on Mars, NASA's Space Launch System (SLS) represents a unique launch capability with a wide range of utilization opportunities, from delivering habitation systems into the lunar vicinity to high-energy transits through the outer solar system. Substantial progress has been made toward the first launch of the initial configuration of SLS, which will be able to deliver more than 70 metric tons of payload into low Earth orbit (LEO). The vehicle will then be evolved into more powerful configurations, culminating with the capability to deliver more than 130 metric tons to LEO. The initial configuration will be able to deliver greater mass to orbit than any contemporary launch vehicle, and the evolved configuration will have greater performance than the Saturn V rocket that enabled human landings on the moon. SLS will also be able to carry larger payload fairings than any contemporary launch vehicle, and will offer opportunities for co-manifested and secondary payloads. Because of its substantial mass-lift capability, SLS will also offer unrivaled departure energy, enabling mission profiles currently not possible. The basic capabilities of SLS have been driven by studies on the requirements of human deep-space exploration missions, and continue to be validated by maturing analysis of Mars mission options. Early collaboration with science teams planning future decadal-class missions have contributed to a greater understanding of the vehicle's potential range of utilization. As this paper will explain, SLS is making measurable progress toward becoming a global infrastructure asset for robotic and human scouts of all nations by providing the robust space launch capability to deliver sustainable solutions for exploration.
Designed to enable human space exploration missions, including eventually landings on Mars, NASA's Space Launch System (SLS) represents a unique launch capability with a wide range of utilization opportunities, from delivering habitation systems into the "proving ground" of lunar-vicinity space to enabling high-energy transits through the outer solar system. Substantial progress has been made toward the first launch of the initial configuration of SLS, which will be able to deliver more than 70 metric tons of payload into low Earth orbit (LEO). Preparations are also underway to evolve the vehicle into more powerful configurations, culminating with the capability to deliver more than 130 metric tons to LEO. Even the initial configuration of SLS will be able to deliver greater mass to orbit than any contemporary launch vehicle, and the evolved configuration will have greater performance than the Saturn V rocket that enabled human landings on the moon. SLS will also be able to carry larger payload fairings than any contemporary launch vehicle, and will offer opportunities for co-manifested and secondary payloads. Because of its substantial mass-lift capability, SLS will also offer unrivaled departure energy, enabling mission profiles currently not possible. The basic capabilities of SLS have been driven by studies on the requirements of human deep-space exploration missions, and continue to be validated by maturing analysis of Mars mission options, including the Global Exploration Roadmap. Early collaboration with science teams planning future decadal-class missions have contributed to a greater understanding of the vehicle's potential range of utilization. As SLS draws closer to its first launch, the Program is maturing concepts for future capability upgrades, which could begin being available within a decade. These upgrades, from multiple unique payload accommodations to an upper stage providing more power for inspace propulsion, have ramifications for a variety of missions, from human exploration to robotic science.
Designed to enable human space exploration missions, including eventual landings on Mars, NASA's Space Launch System (SLS) represents a unique launch capability with a wide range of utilization opportunities, from delivering habitation systems into the lunar vicinity to high-energy transits through the outer solar system. Developed with the goals of safety, affordability and sustainability in mind, SLS is a foundational capability for NASA's future plans for exploration, along with the Orion crew vehicle and upgraded ground systems at the agency's Kennedy Space Center. Substantial progress has been made toward the first launch of the initial configuration of SLS, which will be able to deliver more than 70 metric tons of payload into low Earth orbit (LEO), greater mass-to-orbit capability than any contemporary launch vehicle. The vehicle will then be evolved into more powerful configurations, culminating with the capability to deliver more than 130 metric tons to LEO, greater even than the Saturn V rocket that enabled human landings on the moon. SLS will also be able to carry larger payload fairings than any contemporary launch vehicle, and will offer opportunities for co-manifested and secondary payloads. Because of its substantial mass-lift capability, SLS will also offer unrivaled departure energy, enabling mission profiles currently not possible. Early collaboration with science teams planning future decadal-class missions have contributed to a greater understanding of the vehicle's potential range of utilization. This presentation will discuss the potential opportunities this vehicle poses for the planetary sciences community, relating the vehicle's evolution to practical implications for mission capture. As this paper will explain, SLS will be a global launch infrastructure asset, employing sustainable solutions and technological innovations to deliver capabilities for space exploration to power human and robotic systems beyond our Moon and in to deep space.
Designed to enable human space exploration missions, including eventual landings on Mars, NASA’s Space Launch System (SLS) represents a unique launch capability with a wide range of utilization opportunities, from delivering habitation systems into the lunar vicinity to high-energy transits through the outer solar system. Developed with the goals of safety, affordability and sustainability in mind, SLS is a foundational capability for NASA’s future plans for exploration, along with the Orion crew vehicle and upgraded ground systems at the agency’s Kennedy Space Center. Substantial progress has been made toward the first launch of the initial configuration of SLS, which will be able to deliver more than 70 metric tons of payload into low Earth orbit (LEO), greater mass-to-orbit capability than any contemporary launch vehicle. The vehicle will then be evolved into more powerful configurations, culminating with the capability to deliver more than 130 metric tons to LEO, greater even than the Saturn V rocket that enabled human landings on the moon. SLS will also be able to carry larger payload fairings than any contemporary launch vehicle, and will offer opportunities for co-manifested and secondary payloads. Because of its substantial mass-lift capability, SLS will also offer unrivaled departure energy, enabling mission profiles currently not possible. Early collaboration with science teams planning future decadal-class missions have contributed to a greater understanding of the vehicle’s potential range of utilization. This presentation will discuss the potential opportunities this vehicle poses for the planetary sciences community, relating the vehicle’s evolution to practical implications for mission capture. As this paper will explain, SLS will be a global launch infrastructure asset, employing sustainable solutions and technological innovations to deliver capabilities for space exploration to power human and robotic systems beyond our Moon and in to deep space.
Pionic energies and natural linewidths and muonic energies measured for X ray transitions in lithium, beryllium, boron and carbon, noting energy shifts